#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ug8 s SER 2 N 0.00 6.50 -0.05 1.61 1.04 -1.26 -4.99 113.70 116.55 1ug8 s SER 2 Ca 0.00 2.72 0.00 0.00 0.48 0.00 0.00 55.95 59.15 1ug8 s SER 2 Cb 0.00 -2.60 0.02 0.00 0.10 0.00 0.00 66.02 63.55 1ug8 s SER 2 CO 0.00 -0.89 -0.03 -0.55 0.98 0.00 0.00 173.24 172.75 1ug8 s SER 3 N 1.18 1.13 0.05 7.02 0.15 -1.26 -5.06 113.70 116.92 1ug8 s SER 3 Ca 0.72 -0.12 -0.11 0.00 0.70 0.00 0.00 55.95 57.14 1ug8 s SER 3 Cb -0.46 -0.45 -0.03 0.00 -1.71 0.00 0.00 66.02 63.37 1ug8 s SER 3 CO 0.32 -0.09 1.19 1.23 1.20 0.00 0.00 173.24 177.08 1ug8 h GLY 4 N 7.52 -1.95 -0.42 9.45 0.00 -1.98 0.55 103.07 116.24 1ug8 h GLY 4 Ca -0.33 0.97 0.04 0.00 0.00 0.00 0.00 47.33 48.01 1ug8 h GLY 4 CO 0.41 -0.62 -0.25 1.44 0.00 0.00 0.00 176.54 177.52 1ug8 n SER 5 N -3.74 -0.45 -0.24 0.19 7.64 -1.26 0.15 113.62 115.91 1ug8 n SER 5 Ca 0.00 1.32 0.02 0.00 1.01 0.00 0.00 58.87 61.22 1ug8 n SER 5 Cb 0.10 -0.38 0.11 0.00 -1.01 0.00 0.00 64.21 63.02 1ug8 n SER 5 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1ug8 h SER 6 N 0.00 -0.50 -1.68 6.43 0.87 -1.78 0.43 113.55 117.32 1ug8 h SER 6 Ca 0.07 0.20 0.50 0.00 -1.23 0.00 0.00 61.79 61.33 1ug8 h SER 6 Cb 0.17 0.38 -0.08 0.00 -0.44 0.00 0.00 62.40 62.43 1ug8 h SER 6 CO -0.40 -0.20 1.19 0.61 -0.53 0.00 0.00 176.83 177.50 1ug8 n GLY 7 N -1.43 -0.87 0.31 5.77 0.00 0.19 0.12 105.19 109.27 1ug8 n GLY 7 Ca 0.10 0.64 -0.12 0.00 0.00 0.00 0.00 46.02 46.65 1ug8 n GLY 7 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ug8 h ASP 8 N 0.00 -0.66 0.21 1.61 3.32 0.13 -2.13 116.42 118.91 1ug8 h ASP 8 Ca 0.84 0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.82 1ug8 h ASP 8 Cb 3.25 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 42.96 1ug8 h ASP 8 CO -0.10 -0.44 -0.38 0.06 -1.72 0.00 0.00 179.24 176.67 1ug8 h GLN 9 N -0.84 0.23 -0.89 3.56 3.07 -0.04 -2.75 115.11 117.45 1ug8 h GLN 9 Ca -0.08 -0.10 0.17 0.00 0.09 0.00 0.00 58.65 58.73 1ug8 h GLN 9 Cb 0.59 -0.01 -0.10 0.00 0.08 0.00 0.00 27.48 28.05 1ug8 h GLN 9 CO 0.13 0.58 0.47 0.87 0.09 0.00 0.00 178.83 180.97 1ug8 h LYS 10 N 0.20 0.61 -0.36 0.06 1.79 0.10 1.22 116.57 120.19 1ug8 h LYS 10 Ca 0.02 -0.04 -0.17 0.00 -2.18 0.00 0.00 60.65 58.28 1ug8 h LYS 10 Cb 0.76 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 31.27 1ug8 h LYS 10 CO 0.06 0.40 -0.44 0.87 -1.08 0.00 0.00 179.45 179.26 1ug8 h LYS 11 N 0.63 0.93 0.39 3.15 1.57 -1.09 -0.86 116.57 121.29 1ug8 h LYS 11 Ca 0.50 -0.52 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1ug8 h LYS 11 Cb 0.76 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.11 1ug8 h LYS 11 CO -0.39 1.17 -0.19 0.35 -0.57 0.00 0.00 179.45 179.83 1ug8 h PHE 12 N 0.74 -0.49 -0.19 -1.35 3.04 -0.43 -1.06 116.94 117.21 1ug8 h PHE 12 Ca 0.05 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.03 1ug8 h PHE 12 Cb 1.04 0.16 -0.04 0.00 2.56 0.00 0.00 35.95 39.67 1ug8 h PHE 12 CO 0.07 -0.19 -0.07 0.97 -2.02 0.00 0.00 178.31 177.07 1ug8 h ILE 13 N -0.75 0.76 -0.26 1.41 6.09 0.13 -1.95 117.51 122.93 1ug8 h ILE 13 Ca -0.05 0.00 0.06 0.00 -1.37 0.00 0.00 64.86 63.50 1ug8 h ILE 13 Cb 0.52 0.76 -0.08 0.00 0.47 0.00 0.00 36.82 38.49 1ug8 h ILE 13 CO 0.09 0.00 -0.37 0.44 -3.07 0.00 0.00 178.15 175.24 1ug8 h ASP 14 N -0.04 -1.18 -0.98 2.19 5.19 -1.12 0.28 116.42 120.76 1ug8 h ASP 14 Ca 0.10 0.18 0.27 0.00 -0.62 0.00 0.00 57.03 56.96 1ug8 h ASP 14 Cb 0.18 0.51 -0.14 0.00 0.18 0.00 0.00 39.33 40.07 1ug8 h ASP 14 CO -0.21 -0.37 0.53 1.56 -3.12 0.00 0.00 179.24 177.63 1ug8 h GLN 15 N -0.36 0.42 -0.08 3.56 4.20 -0.60 0.31 115.11 122.56 1ug8 h GLN 15 Ca 0.12 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 1ug8 h GLN 15 Cb 0.57 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.25 1ug8 h GLN 15 CO -0.46 0.28 -0.02 0.28 -0.67 0.00 0.00 178.83 178.24 1ug8 h VAL 16 N 0.43 1.29 -0.96 -0.54 2.07 0.12 -3.03 116.25 115.63 1ug8 h VAL 16 Ca 0.66 -0.92 0.20 0.00 0.82 0.00 0.00 66.70 67.46 1ug8 h VAL 16 Cb 1.37 1.75 -0.18 0.00 -1.52 0.00 0.00 31.29 32.71 1ug8 h VAL 16 CO -0.55 0.26 -0.21 0.40 0.02 0.00 0.00 177.57 177.49 1ug8 h ILE 17 N -0.19 0.04 -0.12 4.57 1.08 0.28 0.62 117.51 123.80 1ug8 h ILE 17 Ca 0.02 -0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.53 1ug8 h ILE 17 Cb 0.41 0.04 -0.06 0.00 -3.07 0.00 0.00 36.82 34.15 1ug8 h ILE 17 CO 0.01 0.00 -0.25 -0.33 -0.69 0.00 0.00 178.15 176.88 1ug8 h GLU 18 N 0.00 -0.32 -0.90 2.37 4.39 -1.28 0.46 114.58 119.30 1ug8 h GLU 18 Ca 0.48 0.02 0.17 0.00 0.34 0.00 0.00 59.36 60.37 1ug8 h GLU 18 Cb 0.76 0.07 -0.10 0.00 -0.10 0.00 0.00 28.75 29.38 1ug8 h GLU 18 CO -0.98 -0.21 0.49 0.87 -1.16 0.00 0.00 179.01 178.02 1ug8 h LYS 19 N -0.33 0.62 0.72 2.33 1.57 0.21 -1.54 116.57 120.14 1ug8 h LYS 19 Ca 0.10 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1ug8 h LYS 19 Cb 0.47 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 32.65 1ug8 h LYS 19 CO -0.31 0.41 -0.34 0.82 -0.57 0.00 0.00 179.45 179.46 1ug8 h ILE 20 N 0.64 0.12 -0.40 1.86 2.04 0.82 -2.35 117.51 120.23 1ug8 h ILE 20 Ca 0.51 -0.25 0.04 0.00 1.00 0.00 0.00 64.86 66.16 1ug8 h ILE 20 Cb 0.79 0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 1ug8 h ILE 20 CO -0.39 0.01 -0.24 -0.62 0.00 0.00 0.00 178.15 176.91 1ug8 n GLU 21 N -5.43 -0.18 -0.10 2.37 -0.58 0.14 -0.05 120.64 116.81 1ug8 n GLU 21 Ca -0.13 1.00 -0.13 0.00 -0.42 0.00 0.00 57.16 57.48 1ug8 n GLU 21 Cb 0.39 -1.48 -0.09 0.00 -0.57 0.00 0.00 31.44 29.69 1ug8 n GLU 21 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 1ug8 h ASP 22 N 0.00 -1.73 -0.22 1.62 1.82 -1.40 1.28 116.42 117.78 1ug8 h ASP 22 Ca 0.06 0.23 0.07 0.00 -0.39 0.00 0.00 57.03 57.00 1ug8 h ASP 22 Cb 0.17 0.71 -0.01 0.00 0.68 0.00 0.00 39.33 40.88 1ug8 h ASP 22 CO -0.38 -0.42 0.61 0.15 -1.61 0.00 0.00 179.24 177.59 1ug8 h PHE 23 N -0.43 0.00 0.02 0.28 3.57 0.09 1.32 116.94 121.79 1ug8 h PHE 23 Ca 0.08 0.00 -0.33 0.00 3.53 0.00 0.00 57.97 61.24 1ug8 h PHE 23 Cb 0.62 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.31 1ug8 h PHE 23 CO -0.67 0.00 -1.99 1.28 -2.23 0.00 0.00 178.31 174.70 1ug8 n LEU 24 N -3.05 1.18 0.05 0.59 4.77 0.36 -3.93 117.00 116.96 1ug8 n LEU 24 Ca 0.04 0.23 0.12 0.00 -0.03 0.00 0.00 56.01 56.37 1ug8 n LEU 24 Cb 0.71 -0.09 0.49 0.00 -2.33 0.00 0.00 43.42 42.20 1ug8 n LEU 24 CO 0.15 0.55 0.89 0.00 -1.33 0.00 0.00 177.39 177.65 1ug8 n GLN 25 N -3.07 0.11 -3.46 3.23 10.64 0.40 -4.78 117.38 120.45 1ug8 n GLN 25 Ca -0.26 0.16 -0.31 0.00 -1.83 0.00 0.00 57.00 54.75 1ug8 n GLN 25 Cb 1.07 -1.65 -0.05 0.00 -0.86 0.00 0.00 30.24 28.75 1ug8 n GLN 25 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1ug8 s SER 26 N -3.67 6.57 -0.05 2.61 0.15 0.17 -5.04 113.70 114.45 1ug8 s SER 26 Ca 0.11 0.82 -0.04 0.00 0.70 0.00 0.00 55.95 57.54 1ug8 s SER 26 Cb 0.14 -2.19 -0.01 0.00 -1.71 0.00 0.00 66.02 62.26 1ug8 s SER 26 CO 0.50 -0.06 -0.07 1.21 1.20 0.00 0.00 173.24 176.02 1ug8 n GLU 27 N -0.19 0.16 -0.31 5.44 2.13 -1.26 -4.48 120.64 122.12 1ug8 n GLU 27 Ca -0.00 0.28 0.01 0.00 0.66 0.00 0.00 57.16 58.11 1ug8 n GLU 27 Cb 0.52 -1.01 0.08 0.00 0.27 0.00 0.00 31.44 31.31 1ug8 n GLU 27 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1ug8 h GLU 28 N -0.33 -0.02 -6.03 5.31 4.81 -1.96 -3.40 114.58 112.95 1ug8 h GLU 28 Ca 0.00 0.00 -0.81 0.00 -0.13 0.00 0.00 59.36 58.42 1ug8 h GLU 28 Cb 0.20 0.01 0.03 0.00 0.63 0.00 0.00 28.75 29.62 1ug8 h GLU 28 CO 0.00 -0.02 0.39 1.63 -0.73 0.00 0.00 179.01 180.28 1ug8 n LYS 29 N -5.52 0.17 -0.02 1.92 5.02 -1.26 -4.82 118.16 113.65 1ug8 n LYS 29 Ca 0.11 0.06 -0.02 0.00 -2.02 0.00 0.00 58.31 56.44 1ug8 n LYS 29 Cb 0.42 -1.59 -0.02 0.00 -0.02 0.00 0.00 35.03 33.82 1ug8 n LYS 29 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1ug8 n ARG 30 N 2.79 1.70 -3.71 1.97 3.00 -1.26 -4.95 116.66 116.21 1ug8 n ARG 30 Ca 0.24 0.01 -0.13 0.00 -0.00 0.00 0.00 57.85 57.97 1ug8 n ARG 30 Cb 0.04 -1.07 -0.13 0.00 0.00 0.00 0.00 32.46 31.29 1ug8 n ARG 30 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1ug8 s SER 31 N -3.88 -0.01 0.18 6.15 1.04 -1.26 -1.01 113.70 114.91 1ug8 s SER 31 Ca -0.03 0.51 -0.08 0.00 0.48 0.00 0.00 55.95 56.83 1ug8 s SER 31 Cb 0.01 0.46 -0.06 0.00 0.10 0.00 0.00 66.02 66.53 1ug8 s SER 31 CO 0.10 -0.19 0.46 -0.22 0.98 0.00 0.00 173.24 174.37 1ug8 s LEU 32 N 1.64 4.23 -0.16 2.42 2.96 0.17 -4.90 118.68 125.04 1ug8 s LEU 32 Ca -0.06 0.78 0.00 0.00 -0.22 0.00 0.00 54.13 54.63 1ug8 s LEU 32 Cb -0.11 -3.45 0.03 0.00 0.50 0.00 0.00 46.19 43.16 1ug8 s LEU 32 CO -0.08 0.01 -0.11 -1.61 -1.32 0.00 0.00 176.35 173.24 1ug8 s GLU 33 N -2.64 1.96 0.67 1.98 2.02 -1.26 0.80 118.70 122.23 1ug8 s GLU 33 Ca 0.43 -0.58 0.02 0.00 0.02 0.00 0.00 54.97 54.86 1ug8 s GLU 33 Cb -0.12 -2.09 0.11 0.00 0.10 0.00 0.00 34.13 32.13 1ug8 s GLU 33 CO 0.22 -0.32 0.92 -0.51 0.02 0.00 0.00 175.26 175.59 1ug8 s LEU 34 N 1.52 3.04 0.42 1.80 1.43 -0.37 -5.02 118.68 121.51 1ug8 s LEU 34 Ca 0.03 -0.46 -0.14 0.00 -1.03 0.00 0.00 54.13 52.52 1ug8 s LEU 34 Cb -0.14 -1.96 -0.08 0.00 0.03 0.00 0.00 46.19 44.04 1ug8 s LEU 34 CO -0.09 -1.67 0.85 1.51 0.23 0.00 0.00 176.35 177.17 1ug8 s ASP 35 N -4.69 6.65 -0.19 2.29 -4.77 -1.26 -4.41 116.67 110.29 1ug8 s ASP 35 Ca 0.64 1.35 -0.29 0.00 -3.30 0.00 0.00 52.55 50.96 1ug8 s ASP 35 Cb -0.06 -2.41 -0.01 0.00 -1.09 0.00 0.00 42.92 39.35 1ug8 s ASP 35 CO 0.42 -0.41 1.29 -2.16 0.70 0.00 0.00 175.17 175.01 1ug8 s PRO 36 N -3.67 4.17 0.65 2.11 0.04 -1.26 -4.34 135.00 132.70 1ug8 s PRO 36 Ca 0.55 1.61 -0.03 0.00 0.04 0.00 0.00 61.00 63.17 1ug8 s PRO 36 Cb -0.10 -3.79 0.06 0.00 0.04 0.00 0.00 34.50 30.70 1ug8 s PRO 36 CO 0.26 -0.79 0.92 0.00 0.04 0.00 0.00 177.00 177.44 1ug8 h THR 38 N -0.35 1.28 0.00 0.00 1.35 -1.95 -3.47 112.91 109.77 1ug8 h THR 38 Ca -0.43 -1.55 0.00 0.00 -0.55 0.00 0.00 66.41 63.88 1ug8 h THR 38 Cb 1.30 2.24 0.00 0.00 -1.73 0.00 0.00 68.15 69.96 1ug8 h THR 38 CO 0.55 0.36 0.00 0.61 -0.25 0.00 0.00 175.52 176.79 1ug8 n GLY 39 N 0.91 -0.96 0.38 5.82 0.00 -1.26 -4.99 105.19 105.09 1ug8 n GLY 39 Ca -0.08 0.32 -0.14 0.00 0.00 0.00 0.00 46.02 46.12 1ug8 n GLY 39 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ug8 h PHE 40 N 0.00 -1.08 -0.62 1.61 3.57 -2.00 -1.86 116.94 116.56 1ug8 h PHE 40 Ca 0.00 0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.64 1ug8 h PHE 40 Cb 0.00 0.42 -0.11 0.00 2.79 0.00 0.00 35.95 39.06 1ug8 h PHE 40 CO 0.00 -0.51 -0.00 1.96 -2.23 0.00 0.00 178.31 177.52 1ug8 h GLN 41 N -0.76 0.11 -0.77 1.11 1.08 -1.97 0.97 115.11 114.88 1ug8 h GLN 41 Ca -0.05 -0.01 0.18 0.00 -1.45 0.00 0.00 58.65 57.33 1ug8 h GLN 41 Cb 0.66 -0.02 -0.13 0.00 -0.05 0.00 0.00 27.48 27.94 1ug8 h GLN 41 CO -0.06 0.07 0.07 -0.09 -0.95 0.00 0.00 178.83 177.88 1ug8 h ARG 42 N 0.11 0.14 -0.58 1.46 2.43 -1.83 0.91 114.38 117.03 1ug8 h ARG 42 Ca 0.32 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.45 1ug8 h ARG 42 Cb 0.52 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 1ug8 h ARG 42 CO -0.54 0.09 0.24 0.87 -1.51 0.00 0.00 179.97 179.13 1ug8 h LYS 43 N 0.15 0.84 0.16 0.20 1.57 -0.01 -2.13 116.57 117.34 1ug8 h LYS 43 Ca 0.43 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1ug8 h LYS 43 Cb 0.78 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 1ug8 h LYS 43 CO -0.63 0.68 -0.11 -0.07 -0.57 0.00 0.00 179.45 178.75 1ug8 h LEU 44 N 0.83 -0.27 -0.31 2.94 3.38 0.16 0.81 115.31 122.85 1ug8 h LEU 44 Ca 0.20 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.26 1ug8 h LEU 44 Cb 0.15 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.91 1ug8 h LEU 44 CO -0.02 -0.17 -0.20 0.40 0.09 0.00 0.00 178.44 178.54 1ug8 h ILE 45 N -0.27 0.44 -0.39 1.22 2.04 -0.56 0.65 117.51 120.65 1ug8 h ILE 45 Ca -0.01 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.80 1ug8 h ILE 45 Cb 0.23 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 1ug8 h ILE 45 CO 0.01 0.00 0.05 1.88 0.00 0.00 0.00 178.15 180.08 1ug8 h TYR 46 N -0.17 0.61 -0.50 1.37 0.05 -1.05 0.25 116.97 117.54 1ug8 h TYR 46 Ca 0.16 -0.05 -0.10 0.00 0.05 0.00 0.00 58.73 58.78 1ug8 h TYR 46 Cb 0.42 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.96 1ug8 h TYR 46 CO -0.40 0.56 -0.10 1.96 -1.05 0.00 0.00 178.16 179.13 1ug8 h GLN 47 N 0.57 0.92 0.08 4.88 1.08 0.29 -0.12 115.11 122.80 1ug8 h GLN 47 Ca 0.13 -0.32 -0.00 0.00 -1.45 0.00 0.00 58.65 57.00 1ug8 h GLN 47 Cb 0.29 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 1ug8 h GLN 47 CO 0.00 0.97 -0.04 1.15 -0.95 0.00 0.00 178.83 179.97 1ug8 h THR 48 N 0.82 0.00 -0.40 -0.54 2.02 0.74 -3.26 112.91 112.29 1ug8 h THR 48 Ca 0.13 -0.35 0.12 0.00 0.77 0.00 0.00 66.41 67.08 1ug8 h THR 48 Cb 0.63 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 1ug8 h THR 48 CO 0.04 0.00 0.63 -0.07 0.37 0.00 0.00 175.52 176.49 1ug8 h LEU 49 N -0.46 0.00 -0.91 2.58 3.38 -0.62 1.67 115.31 120.95 1ug8 h LEU 49 Ca -0.01 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.08 1ug8 h LEU 49 Cb 0.08 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.75 1ug8 h LEU 49 CO 0.02 0.00 0.54 -1.28 0.09 0.00 0.00 178.44 177.81 1ug8 h SER 50 N 0.00 0.76 0.00 -0.43 0.87 -1.05 0.40 113.55 114.10 1ug8 h SER 50 Ca 0.19 0.06 -0.17 0.00 -1.23 0.00 0.00 61.79 60.64 1ug8 h SER 50 Cb 1.45 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 63.28 1ug8 h SER 50 CO -0.00 0.40 -1.65 -2.67 -0.53 0.00 0.00 176.83 172.38 1ug8 n TRP 51 N -4.71 0.00 -0.21 2.24 4.27 0.17 -3.72 117.44 115.47 1ug8 n TRP 51 Ca 0.17 0.00 0.02 0.00 -3.89 0.00 0.00 57.50 53.80 1ug8 n TRP 51 Cb 0.35 -0.46 0.27 0.00 -1.36 0.00 0.00 31.31 30.11 1ug8 n TRP 51 CO 0.00 0.00 0.00 0.87 -2.29 0.00 0.00 177.69 176.27 1ug8 h LYS 52 N 0.00 0.92 -1.34 -2.67 1.57 0.22 -3.36 116.57 111.91 1ug8 h LYS 52 Ca -0.26 -0.06 -0.25 0.00 -1.87 0.00 0.00 60.65 58.21 1ug8 h LYS 52 Cb 1.55 -0.21 -0.22 0.00 0.08 0.00 0.00 32.23 33.43 1ug8 h LYS 52 CO 0.00 0.61 -0.61 0.71 -0.57 0.00 0.00 179.45 179.60 1ug8 s TYR 53 N -5.81 -0.97 -0.08 -1.35 2.02 0.14 -4.96 117.35 106.35 1ug8 s TYR 53 Ca -0.11 -0.94 -0.24 0.00 -0.37 0.00 0.00 57.07 55.41 1ug8 s TYR 53 Cb 0.18 0.02 -0.20 0.00 -0.40 0.00 0.00 41.96 41.56 1ug8 s TYR 53 CO 0.78 -1.16 0.89 -1.00 -1.57 0.00 0.00 175.55 173.48 1ug8 h PRO 54 N 5.30 -0.07 -4.62 -1.71 0.13 -1.63 -3.42 132.00 125.99 1ug8 h PRO 54 Ca 0.11 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.60 1ug8 h PRO 54 Cb 1.07 0.02 -0.37 0.00 0.13 0.00 0.00 31.00 31.84 1ug8 h PRO 54 CO 0.10 0.55 -0.79 -1.59 -0.23 0.00 0.00 178.00 176.04 1ug8 s LYS 55 N -3.10 1.95 0.00 0.86 0.00 -1.26 -4.71 119.74 113.48 1ug8 s LYS 55 Ca -0.15 -1.15 0.00 0.00 0.00 0.00 0.00 55.97 54.67 1ug8 s LYS 55 Cb -0.00 -2.72 0.00 0.00 0.00 0.00 0.00 37.83 35.10 1ug8 s LYS 55 CO 0.57 -0.57 0.00 0.41 0.00 0.00 0.00 175.35 175.76 1ug8 n GLY 56 N 4.56 1.36 3.32 0.59 0.00 -1.26 -4.95 105.19 108.80 1ug8 n GLY 56 Ca -0.13 -0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.63 1ug8 n GLY 56 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ug8 s ILE 57 N 0.00 1.05 -0.20 -0.61 -5.25 -1.26 -1.38 121.20 113.55 1ug8 s ILE 57 Ca 0.00 -2.04 0.00 0.00 -0.99 0.00 0.00 60.65 57.62 1ug8 s ILE 57 Cb 0.00 -2.29 0.05 0.00 2.95 0.00 0.00 42.46 43.17 1ug8 s ILE 57 CO 0.00 -0.37 -0.07 -2.28 -1.79 0.00 0.00 174.94 170.43 1ug8 s HIS 58 N -3.41 2.17 -0.06 1.37 2.46 -0.72 -4.82 115.29 112.28 1ug8 s HIS 58 Ca 0.27 -1.49 -0.17 0.00 0.47 0.00 0.00 55.06 54.14 1ug8 s HIS 58 Cb 0.05 -1.51 -0.05 0.00 -0.13 0.00 0.00 32.58 30.94 1ug8 s HIS 58 CO 0.08 -0.72 0.44 0.08 -2.47 0.00 0.00 174.74 172.15 1ug8 s VAL 59 N 1.48 5.10 -0.03 0.89 1.01 -1.26 -0.51 120.40 127.08 1ug8 s VAL 59 Ca -0.02 0.89 -0.07 0.00 0.00 0.00 0.00 61.98 62.78 1ug8 s VAL 59 Cb -0.17 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.45 1ug8 s VAL 59 CO -0.07 0.45 0.15 -1.83 0.00 0.00 0.00 175.10 173.80 1ug8 s GLU 60 N -0.20 0.35 -0.47 2.72 -1.05 0.21 -4.98 118.70 115.28 1ug8 s GLU 60 Ca 0.24 -0.10 -0.14 0.00 -0.15 0.00 0.00 54.97 54.83 1ug8 s GLU 60 Cb -0.16 0.15 0.09 0.00 -0.44 0.00 0.00 34.13 33.77 1ug8 s GLU 60 CO 0.12 -0.07 0.38 0.99 0.95 0.00 0.00 175.26 177.62 1ug8 s THR 61 N -0.68 4.93 0.25 1.83 2.01 -1.26 0.98 115.64 123.70 1ug8 s THR 61 Ca -0.08 -1.27 -0.11 0.00 0.31 0.00 0.00 61.69 60.55 1ug8 s THR 61 Cb -0.05 -4.02 -0.08 0.00 0.01 0.00 0.00 72.50 68.37 1ug8 s THR 61 CO 0.01 -0.63 0.59 -0.76 -0.69 0.00 0.00 174.62 173.15 1ug8 s LEU 62 N 1.57 4.15 0.03 4.42 1.43 -0.01 -4.81 118.68 125.46 1ug8 s LEU 62 Ca 0.04 1.01 0.01 0.00 -1.03 0.00 0.00 54.13 54.16 1ug8 s LEU 62 Cb -0.25 -3.77 -0.04 0.00 0.03 0.00 0.00 46.19 42.16 1ug8 s LEU 62 CO 0.04 -0.10 0.07 -0.70 0.23 0.00 0.00 176.35 175.90 1ug8 s GLU 63 N -2.84 2.96 -0.06 1.70 2.12 -1.26 0.00 118.70 121.32 1ug8 s GLU 63 Ca 0.49 -0.59 -0.31 0.00 0.36 0.00 0.00 54.97 54.92 1ug8 s GLU 63 Cb -0.11 -2.78 0.08 0.00 0.26 0.00 0.00 34.13 31.57 1ug8 s GLU 63 CO 0.20 0.61 0.72 0.95 -0.54 0.00 0.00 175.26 177.20 1ug8 s THR 64 N -1.27 0.00 -0.90 -1.70 -4.23 -1.26 -4.82 115.64 101.46 1ug8 s THR 64 Ca 0.25 0.00 0.27 0.00 -1.18 0.00 0.00 61.69 61.04 1ug8 s THR 64 Cb -0.12 -1.00 0.25 0.00 1.34 0.00 0.00 72.50 72.97 1ug8 s THR 64 CO 0.17 0.00 1.86 -0.67 -0.54 0.00 0.00 174.62 175.44 1ug8 n ASP 65 N 0.90 0.30 -0.07 3.99 2.03 -1.26 0.11 116.55 122.54 1ug8 n ASP 65 Ca -0.18 0.53 -0.18 0.00 0.52 0.00 0.00 54.79 55.48 1ug8 n ASP 65 Cb 0.57 -0.61 -0.13 0.00 -0.72 0.00 0.00 41.12 40.23 1ug8 n ASP 65 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1ug8 n LYS 66 N -1.78 0.69 -0.05 -0.67 2.85 -1.26 -4.75 118.16 113.19 1ug8 n LYS 66 Ca 0.06 0.18 -0.05 0.00 -1.05 0.00 0.00 58.31 57.45 1ug8 n LYS 66 Cb 0.36 -1.60 -0.02 0.00 -0.65 0.00 0.00 35.03 33.12 1ug8 n LYS 66 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1ug8 n LYS 67 N -3.27 0.32 -0.97 -1.58 5.02 -1.20 -5.11 118.16 111.36 1ug8 n LYS 67 Ca -0.38 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.04 1ug8 n LYS 67 Cb 1.03 -1.05 0.00 0.00 -0.02 0.00 0.00 35.03 34.99 1ug8 n LYS 67 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1ug8 n GLU 68 N -3.72 0.00 -3.05 1.97 1.02 0.30 -4.86 120.64 112.29 1ug8 n GLU 68 Ca -0.08 0.32 -0.15 0.00 -0.02 0.00 0.00 57.16 57.23 1ug8 n GLU 68 Cb 0.31 -0.65 0.02 0.00 -0.02 0.00 0.00 31.44 31.10 1ug8 n GLU 68 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1ug8 n ARG 69 N 0.14 -2.24 -4.65 3.49 0.63 -1.20 -4.84 116.66 107.98 1ug8 n ARG 69 Ca 0.00 1.91 -0.30 0.00 -0.92 0.00 0.00 57.85 58.54 1ug8 n ARG 69 Cb 0.00 -4.20 -0.13 0.00 0.45 0.00 0.00 32.46 28.58 1ug8 n ARG 69 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 1ug8 s HIS 70 N -2.01 2.40 0.23 -0.14 -3.43 0.10 -4.46 115.29 107.98 1ug8 s HIS 70 Ca 0.23 -0.35 -0.30 0.00 -0.80 0.00 0.00 55.06 53.85 1ug8 s HIS 70 Cb -0.05 -1.37 -0.09 0.00 -1.43 0.00 0.00 32.58 29.65 1ug8 s HIS 70 CO 0.74 0.24 1.03 0.42 -2.00 0.00 0.00 174.74 175.17 1ug8 s ILE 71 N -0.94 3.87 -0.01 -5.38 1.01 -1.26 -0.83 121.20 117.67 1ug8 s ILE 71 Ca 0.14 1.79 0.01 0.00 0.00 0.00 0.00 60.65 62.59 1ug8 s ILE 71 Cb -0.10 -4.14 0.01 0.00 0.01 0.00 0.00 42.46 38.23 1ug8 s ILE 71 CO 0.05 0.39 -0.03 -0.69 0.00 0.00 0.00 174.94 174.66 1ug8 s VAL 72 N -0.86 0.26 0.14 2.92 1.01 0.27 -1.24 120.40 122.91 1ug8 s VAL 72 Ca 0.44 -0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.39 1ug8 s VAL 72 Cb -0.28 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 1ug8 s VAL 72 CO 0.35 0.10 0.04 -0.63 0.00 0.00 0.00 175.10 174.96 1ug8 s ILE 73 N 0.22 4.03 0.09 2.22 1.09 0.24 0.64 121.20 129.73 1ug8 s ILE 73 Ca -0.02 -1.19 0.01 0.00 -1.10 0.00 0.00 60.65 58.35 1ug8 s ILE 73 Cb -0.05 -3.00 -0.04 0.00 -1.06 0.00 0.00 42.46 38.31 1ug8 s ILE 73 CO -0.00 -0.04 -0.06 -0.55 -0.10 0.00 0.00 174.94 174.19 1ug8 s SER 74 N -2.78 0.98 -0.18 3.58 0.15 0.33 0.41 113.70 116.20 1ug8 s SER 74 Ca 0.28 -1.00 -0.25 0.00 0.70 0.00 0.00 55.95 55.69 1ug8 s SER 74 Cb -0.10 0.12 -0.02 0.00 -1.71 0.00 0.00 66.02 64.31 1ug8 s SER 74 CO 0.20 -0.49 0.80 -0.54 1.20 0.00 0.00 173.24 174.41 1ug8 s LYS 75 N -3.81 4.28 0.30 5.44 1.02 -0.18 -1.76 119.74 125.04 1ug8 s LYS 75 Ca 0.10 0.96 0.09 0.00 0.02 0.00 0.00 55.97 57.14 1ug8 s LYS 75 Cb 0.06 -3.58 -0.06 0.00 -0.52 0.00 0.00 37.83 33.73 1ug8 s LYS 75 CO -0.06 -0.32 -0.10 0.08 -0.92 0.00 0.00 175.35 174.03 1ug8 s VAL 76 N 2.15 2.00 0.04 3.17 1.01 -0.48 -4.84 120.40 123.46 1ug8 s VAL 76 Ca 0.37 -2.20 0.02 0.00 0.00 0.00 0.00 61.98 60.17 1ug8 s VAL 76 Cb -0.16 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 1ug8 s VAL 76 CO 0.12 -0.29 -0.08 -0.62 0.00 0.00 0.00 175.10 174.23 1ug8 s ASP 77 N -3.51 0.88 0.07 3.32 2.15 -1.26 -4.57 116.67 113.75 1ug8 s ASP 77 Ca 0.30 -0.56 -0.36 0.00 0.43 0.00 0.00 52.55 52.36 1ug8 s ASP 77 Cb 0.02 0.04 -0.19 0.00 -0.30 0.00 0.00 42.92 42.48 1ug8 s ASP 77 CO 0.14 -0.21 1.58 -0.33 -0.17 0.00 0.00 175.17 176.18 1ug8 h GLU 78 N 4.46 -1.12 -0.70 4.34 3.07 -1.92 -2.83 114.58 119.89 1ug8 h GLU 78 Ca -0.36 0.08 0.12 0.00 -0.50 0.00 0.00 59.36 58.70 1ug8 h GLU 78 Cb 1.20 0.25 -0.13 0.00 -0.84 0.00 0.00 28.75 29.24 1ug8 h GLU 78 CO 0.41 -0.74 -0.32 0.93 -1.40 0.00 0.00 179.01 177.88 1ug8 h GLU 79 N -1.16 -0.10 -0.35 2.33 4.39 -1.98 -1.62 114.58 116.09 1ug8 h GLU 79 Ca -0.10 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.64 1ug8 h GLU 79 Cb 0.92 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.55 1ug8 h GLU 79 CO 0.11 -0.07 -0.23 1.49 -1.16 0.00 0.00 179.01 179.16 1ug8 h GLU 80 N -0.10 -0.03 -6.74 2.33 4.57 -1.94 -3.40 114.58 109.28 1ug8 h GLU 80 Ca 0.28 0.00 -0.57 0.00 -1.18 0.00 0.00 59.36 57.89 1ug8 h GLU 80 Cb 0.56 0.01 0.14 0.00 -0.16 0.00 0.00 28.75 29.30 1ug8 h GLU 80 CO -0.76 -0.02 0.23 -2.13 -1.18 0.00 0.00 179.01 175.16 1ug8 n ARG 81 N -3.85 1.38 -0.04 1.92 0.63 -0.61 -4.93 116.66 111.16 1ug8 n ARG 81 Ca 0.00 0.50 -0.20 0.00 -0.92 0.00 0.00 57.85 57.23 1ug8 n ARG 81 Cb 0.11 -2.16 -0.13 0.00 0.45 0.00 0.00 32.46 30.73 1ug8 n ARG 81 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1ug8 h SER 82 N 1.41 0.21 -1.47 6.15 0.87 -1.81 -3.45 113.55 115.46 1ug8 h SER 82 Ca -0.46 -0.78 -0.64 0.00 -1.23 0.00 0.00 61.79 58.68 1ug8 h SER 82 Cb 1.33 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.21 1ug8 h SER 82 CO 0.56 1.50 1.45 0.61 -0.53 0.00 0.00 176.83 180.42 1ug8 n GLY 83 N 1.64 0.72 3.78 5.77 0.00 -1.26 -4.93 105.19 110.90 1ug8 n GLY 83 Ca -0.25 0.87 -0.29 0.00 0.00 0.00 0.00 46.02 46.34 1ug8 n GLY 83 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ug8 s PRO 84 N 6.29 0.45 -0.15 1.61 0.04 -1.26 -5.04 135.00 136.95 1ug8 s PRO 84 Ca 1.06 0.03 -0.10 0.00 0.04 0.00 0.00 61.00 62.02 1ug8 s PRO 84 Cb -0.63 -1.78 -0.06 0.00 0.04 0.00 0.00 34.50 32.07 1ug8 s PRO 84 CO 0.43 -2.61 -0.08 1.03 0.04 0.00 0.00 177.00 175.81 1ug8 h SER 85 N -1.79 0.00 0.28 6.66 0.87 -2.00 -3.40 113.55 114.17 1ug8 h SER 85 Ca -0.48 -0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 59.99 1ug8 h SER 85 Cb 1.30 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.23 1ug8 h SER 85 CO 0.49 0.85 -0.48 0.28 -0.53 0.00 0.00 176.83 177.44 1ug8 h SER 86 N -1.00 -1.39 0.00 6.23 0.02 -2.03 -3.57 113.55 111.82 1ug8 h SER 86 Ca -0.05 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1ug8 h SER 86 Cb 0.58 0.49 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1ug8 h SER 86 CO -0.03 -0.57 0.00 0.61 -1.14 0.00 0.00 176.83 175.70